CID 170579

2-bromo-4,6-dimethylaniline

Structural Information

Molecular Formula
C8H10BrN
SMILES
CC1=CC(=C(C(=C1)Br)N)C
InChI
InChI=1S/C8H10BrN/c1-5-3-6(2)8(10)7(9)4-5/h3-4H,10H2,1-2H3
InChIKey
YOSJCQJJIHEUKA-UHFFFAOYSA-N
Compound name
2-bromo-4,6-dimethylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

241
Patents

198.99966 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.006936 134.0
[M+Na]+ 221.988878 146.7
[M-H]- 197.992384 140.6
[M+NH4]+ 217.033483 157.0
[M+K]+ 237.962818 135.3
[M+H-H2O]+ 181.996920 134.2
[M+HCOO]- 243.997861 156.5
[M+CH3COO]- 258.013511 186.2
[M+Na-2H]- 219.974326 140.7
[M]+ 198.99911142 151.4
[M]- 199.00020858 151.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe